Chemical ID: 5838317

CC(C)CNC(=O)c1ccc2c(c1)C(=O)N(C2=O)CC(C)C
Chemical ID:
5838317
Name [?]:
N,2-diisobutyl-1,3-dioxo-isoindoline-5-carboxamide
SMILES [?]:
CC(C)CNC(=O)c1ccc2c(c1)C(=O)N(C2=O)CC(C)C
InChi [?]:
InChI=1/C17H22N2O3/c1-10(2)8-18-15(20)12-5-6-13-14(7-12)17(22)19(16(13)21)9-11(3)4/h5-7,10-11H,8-9H2,1-4H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,21,22,9,10,13,4,19,2,20,8,11,12,6,17,14,5,16,7,18,15/E:(1,2)(3,4)/rA:22nCCCCNCOCCCCCCCONCOCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;d14;s14;s11s16;d17;s16;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1232
Area:520.88
Solvation:-2.89877
Coulombic:-48.9815
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.368
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.7
LogP (Chemaxon):1.95

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Descriptor Annotations

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